2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C19H20N4O2 — CID 51137289

IUPAC2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-17-4-2-14(3-5-17)12-23-11-8-16(13-23)19-22-21-18(25-19)15-6-9-20-10-7-15/h2-7,9-10,16H,8,11-13H2,1H3/t16-/m0/s1
InChIKeyUZJGHDGWYYNUQA-INIZCTEOSA-N
MW336.40 g/mol
LogP3.13
Rot. Bonds5

About 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 51137289) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID51137289
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-17-4-2-14(3-5-17)12-23-11-8-16(13-23)19-22-21-18(25-19)15-6-9-20-10-7-15/h2-7,9-10,16H,8,11-13H2,1H3/t16-/m0/s1
InChIKeyUZJGHDGWYYNUQA-INIZCTEOSA-N
XLogP3.13
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 51137289) is 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is COc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is UZJGHDGWYYNUQA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-17-4-2-14(3-5-17)12-23-11-8-16(13-23)19-22-21-18(25-19)15-6-9-20-10-7-15/h2-7,9-10,16H,8,11-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 336.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).